N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one

C64H74F6N12O5 — CID 157244909

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
SMILESCN1C(=O)C[C@@](C)(c2ccnc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.CN1C(=O)C[C@]2(CCc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N.Cc1cncc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C26H39N5O2.C20H18F3N3O.C18H17F3N4O2/c1-18-13-21(17-28-16-18)23(32)29-22-10-6-9-20(14-22)15-26(24(33)31(2)25(27)30-26)12-11-19-7-4-3-5-8-19;1-26-17(27)11-19(25-18(26)24)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(9-13)20(21,22)23;1-17(10-15(26)25(2)16(22)24-17)12-6-7-23-14(9-12)11-4-3-5-13(8-11)27-18(19,20)21/h13,16-17,19-20,22H,3-12,14-15H2,1-2H3,(H2,27,30)(H,29,32);2-6,9-10H,7-8,11H2,1H3,(H2,24,25);3-9H,10H2,1-2H3,(H2,22,24)/t20-,22+,26+;19-;17-/m000/s1
InChIKeyAVQKGUAQVNTKCT-MDMWOYCKSA-N
MW1205.36 g/mol
LogP10.68
Rot. Bonds11

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one (PubChem CID 157244909) has the molecular formula C64H74F6N12O5 and a molecular weight of 1205.36 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
PubChem CID157244909
Molecular FormulaC64H74F6N12O5
Molecular Weight1205.36 g/mol
Exact Mass1204.58
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
SMILESCN1C(=O)C[C@@](C)(c2ccnc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.CN1C(=O)C[C@]2(CCc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N.Cc1cncc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C26H39N5O2.C20H18F3N3O.C18H17F3N4O2/c1-18-13-21(17-28-16-18)23(32)29-22-10-6-9-20(14-22)15-26(24(33)31(2)25(27)30-26)12-11-19-7-4-3-5-8-19;1-26-17(27)11-19(25-18(26)24)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(9-13)20(21,22)23;1-17(10-15(26)25(2)16(22)24-17)12-6-7-23-14(9-12)11-4-3-5-13(8-11)27-18(19,20)21/h13,16-17,19-20,22H,3-12,14-15H2,1-2H3,(H2,27,30)(H,29,32);2-6,9-10H,7-8,11H2,1H3,(H2,24,25);3-9H,10H2,1-2H3,(H2,22,24)/t20-,22+,26+;19-;17-/m000/s1
InChIKeyAVQKGUAQVNTKCT-MDMWOYCKSA-N
XLogP10.68
TPSA240.18 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.36
LogP ≤ 510.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one with MolForge

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Related Compounds

N-[1-[3-[4-[2-[(2-cyclopentylacetyl)amino]-2-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-5-(trifluoromethyl)phenyl]-2-phenyl-1-pyridin-2-ylethyl]-3-(trifluoromethoxy)benzamide
CID 143473940
(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,4-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,4-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-piperidin-1-ylphenyl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-ethoxypropyl)benzamide
CID 159691544
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(4S)-2'-amino-3'-methyl-6-[3-(trifluoromethoxy)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate
CID 160428060
(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
CID 161755916
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;3-[[2-amino-4-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-1-yl]methyl]-N,N-dipropylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 157772672
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158253511
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane
CID 158776792
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide
CID 159322521
N-[(1S)-2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 164055036

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one (CID 157244909) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one.
What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one is CN1C(=O)C[C@@](C)(c2ccnc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.CN1C(=O)C[C@]2(CCc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N.Cc1cncc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The InChIKey is AVQKGUAQVNTKCT-MDMWOYCKSA-N. The full InChI is InChI=1S/C26H39N5O2.C20H18F3N3O.C18H17F3N4O2/c1-18-13-21(17-28-16-18)23(32)29-22-10-6-9-20(14-22)15-26(24(33)31(2)25(27)30-26)12-11-19-7-4-3-5-8-19;1-26-17(27)11-19(25-18(26)24)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(9-13)20(21,22)23;1-17(10-15(26)25(2)16(22)24-17)12-6-7-23-14(9-12)11-4-3-5-13(8-11)27-18(19,20)21/h13,16-17,19-20,22H,3-12,14-15H2,1-2H3,(H2,27,30)(H,29,32);2-6,9-10H,7-8,11H2,1H3,(H2,24,25);3-9H,10H2,1-2H3,(H2,22,24)/t20-,22+,26+;19-;17-/m000/s1.
What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one has a molecular weight of 1205.36 g/mol, XLogP of 10.68, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]-5H-pyrimidin-4-one;(3S)-2'-amino-3'-methyl-5-[3-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one is sourced from PubChem (CID 157244909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).